A0A096N779_PAPAN Loading...

Aurora kinase A and ninein interacting protein

AlphaFold DB , UniProt , Accession A0A096N779, Species PAPAN (Papio anubis, Olive baboon), Gene AUNIP, Length 351 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.1Very low50Low236 Ų236165.2 Ų165.2100%1.16386%0.857SS**  0147.30-56.9100.387.300109.1
2R42.1Very low50.7Low245 Ų245155.7 Ų155.793%0.92583%0.829SS**PPolyproline II helixtrans-89.2139163.8-66.7-176.4-177.6-117.50.9107.9
3R48Very low52.1Low250 Ų250153.4 Ų153.494%0.94382%0.824SS**PPolyproline II helixtrans-87.3120.3170.8-64.9-172.8-173.6-174.62.9108.2
4T47.3Very low53Low140 Ų140159.7 Ų159.786%0.85983%0.831SS**PPolyproline II helixtrans-74.1130.5164.5-45.90000107.4
5G50.8Low53.8Low53 Ų53158.5 Ų158.555%0.54683%0.825SS.*PPolyproline II helixtrans-76161.1168.400000110.6
6P48.9Very low54.8Low128 Ų128154.3 Ų154.383%0.83180%0.804SS**PPolyproline II helixtrans-63.5138.8170.629.2-33.8000109.9E8P6-E8 PolarHBondContact O-N 3.37Å
7E53.3Low55.5Low188 Ų188149.2 Ų149.288%0.87979%0.79SS**PPolyproline II helixtrans-75.5117163.3-71.2-179.6112.600107.9E9E7-E9 PolarHBondContact O-N 2.99Å
8E54.8Low56.1Low186 Ų186144.3 Ų144.387%0.86977%0.773SS**  trans-71.8107.3162.8-71.5-176.3120.500107.7P6 A10P6-E8 PolarHBondContact O-N 3.37Å; E8-A10 VanDerWaalsContact C-N 3.26Å; E8-A10 PolarHBondContact O-N 3.4Å
9E48.8Very low56.4Low178 Ų178139.3 Ų139.383%0.83275%0.754SS**  trans-64.488172.1-70.6-168.2159.300109.6E7 C11E7-E9 PolarHBondContact O-N 2.99Å; E9-C11 PolarHBondContact O-N 2.91Å
10A54.7Low56.6Low94 Ų94139.2 Ų139.278%0.77775%0.752SS**  trans-65.297.4177.400000109.8E8 G12E8-A10 VanDerWaalsContact C-N 3.26Å; E8-A10 PolarHBondContact O-N 3.4Å; A10-G12 PolarHBondContact O-N 3.39Å
11C60.6Low57.1Low119 Ų119141.3 Ų141.380%0.80476%0.755SS**  trans-62.669.8174.9-73.10000112.2E9 V13E9-C11 PolarHBondContact O-N 2.91Å; C11-V13 PolarHBondContact O-N 3.34Å
12G59.4Low58.4Low51 Ų51139.7 Ų139.753%0.52674%0.736SS.*  trans-73.338.3-168.600000116A10 W14A10-G12 PolarHBondContact O-N 3.39Å; G12-W14 PolarHBondContact O-N 3.08Å
13V68.4Low59.2Low126 Ų126138.9 Ų138.976%0.76473%0.733SS**  trans-80.871.2171.9-171.60000109.2C11 L15C11-V13 PolarHBondContact O-N 3.34Å; V13-L15 PolarHBondContact O-N 3.36Å
14W64.6Low60Low242 Ų242136 Ų13692%0.91773%0.727SS**  trans-68.7100.2174.4-69.781.8000109.8G12 D16G12-W14 PolarHBondContact O-N 3.08Å; W14-D16 PolarHBondContact O-N 2.77Å
15L65.3Low60.7Low141 Ų141134.8 Ų134.874%0.73872%0.719SS**  trans-64.3122.3170.9-72.5172.8000109.9V13 A17V13-L15 PolarHBondContact O-N 3.36Å; L15-A17 PolarHBondContact O-N 2.95Å
16D70.1Confident61.1Low92 Ų92138.4 Ų138.449%0.49272%0.722SS.*  trans-65.9106.1178.5175.323.2000111.4W14 A18 A19 L20W14-D16 PolarHBondContact O-N 2.77Å; D16-A18 PolarHBondContact O-N 2.91Å; D16-A18 WeakPolarHBondContact OD1-CA 3.41Å; D16-A18 VanDerWaalsContact OD1-CB 3.23Å; D16-A18 WeakPolarHBondContact OD1-CB 3.4Å; D16-A18 PolarHBondContact OD1-N 3Å; D16-A19 HydrophobicContact CB-CB 4Å; D16-A19 WeakPolarHBondContact O-CB 3.29Å; D16-A19 PolarHBondContact O-N 3.45Å; D16-A19 VanDerWaalsContact O-N 3.1Å; D16-A19 WeakPolarHBondContact OD2-CB 3.5Å; D16-A19 PolarHBondContact OD2-N 3.22Å; D16-L20 PolarHBondContact O-N 3.15Å
17A66.9Low61.6Low68 Ų68138.2 Ų138.256%0.56272%0.718SS**Hα-helixtrans-61.4-21.6175.400000113.3L15 K21L15-A17 PolarHBondContact O-N 2.95Å; A17-K21 PolarHBondContact O-N 3.24Å
18A65.2Low61.8Low60 Ų60137.1 Ų137.150%0.49671%0.713SS.*Hα-helixtrans-77.8-34.817400000112.2D16 K21D16-A18 PolarHBondContact O-N 2.91Å; D16-A18 WeakPolarHBondContact OD1-CA 3.41Å; D16-A18 VanDerWaalsContact OD1-CB 3.23Å; D16-A18 WeakPolarHBondContact OD1-CB 3.4Å; D16-A18 PolarHBondContact OD1-N 3Å; A18-K21 PolarHBondContact O-N 3.1Å
19A62.8Low61.8Low49 Ų49135.8 Ų135.841%0.40571%0.711SS.*Hα-helixtrans-63.1-43.6170.100000111.5D16 K21 R22D16-A19 HydrophobicContact CB-CB 4Å; D16-A19 WeakPolarHBondContact O-CB 3.29Å; D16-A19 PolarHBondContact O-N 3.45Å; D16-A19 VanDerWaalsContact O-N 3.1Å; D16-A19 WeakPolarHBondContact OD2-CB 3.5Å; D16-A19 PolarHBondContact OD2-N 3.22Å; A19-K21 VanDerWaalsContact C-N 3.26Å; A19-K21 PolarHBondContact O-N 3Å; A19-R22 WeakPolarHBondContact O-CB 3.46Å; A19-R22 PolarHBondContact O-N 3.24Å; A19-R22 VanDerWaalsContact O-N 3.1Å
20L60.5Low62.2Low138 Ų138134.4 Ų134.472%0.72371%0.707SS**Hα-helixtrans-61.4-28.3177.1-103.1156.2000113.8D16 R22D16-L20 PolarHBondContact O-N 3.15Å; L20-R22 VanDerWaalsContact C-N 3.26Å; L20-R22 PolarHBondContact O-N 2.84Å
21K66.7Low62.6Low184 Ų184138.5 Ų138.580%0.871%0.708SS**THydrogen-bonded Turntrans-76.2-4175.9-76.2-177.1178.7-177.50114.6A17 A18 A19 R23A17-K21 PolarHBondContact O-N 3.24Å; A18-K21 PolarHBondContact O-N 3.1Å; A19-K21 VanDerWaalsContact C-N 3.26Å; A19-K21 PolarHBondContact O-N 3Å; K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 3.3Å
22R66.4Low62.2Low202 Ų202139.4 Ų139.476%0.76271%0.712SS**  trans-77.674.4176.8-61.6-175-173.4-175.33.8111.6A19 L20 K24A19-R22 WeakPolarHBondContact O-CB 3.46Å; A19-R22 PolarHBondContact O-N 3.24Å; A19-R22 VanDerWaalsContact O-N 3.1Å; L20-R22 VanDerWaalsContact C-N 3.26Å; L20-R22 PolarHBondContact O-N 2.84Å; R22-K24 PolarHBondContact O-N 2.94Å
23R59.2Low61.9Low228 Ų228140 Ų14086%0.8672%0.719SS**  trans-52.3112.2172.4-162178.7-161.5174.66.7109.1K21 V25K21-R23 VanDerWaalsContact C-N 3.28Å; K21-R23 PolarHBondContact O-N 3.3Å; R23-V25 VanDerWaalsContact C-N 3.33Å; R23-V25 PolarHBondContact O-N 3.05Å
24K65.3Low61.3Low190 Ų190140.8 Ų140.883%0.82672%0.724SS**  trans-70.487.4-178.7-173.3177.9179.9-179.30109.7R22 Q26R22-K24 PolarHBondContact O-N 2.94Å; K24-Q26 VanDerWaalsContact C-N 3.33Å; K24-Q26 PolarHBondContact O-N 3.3Å
25V62.8Low61Low113 Ų113138.9 Ų138.969%0.68572%0.722SS**  trans-67.793.6175.4-176.30000108.4R23 T27R23-V25 VanDerWaalsContact C-N 3.33Å; R23-V25 PolarHBondContact O-N 3.05Å; V25-T27 HydrophobicContact CG1-CG2 4.14Å; V25-T27 PolarHBondContact O-N 3.18Å
26Q58.6Low59.8Low130 Ų130140.7 Ų140.761%0.60773%0.729SS**  trans-74.192.4173-174.7166.1-15.500108.5K24 H28K24-Q26 VanDerWaalsContact C-N 3.33Å; K24-Q26 PolarHBondContact O-N 3.3Å; Q26-H28 PolarHBondContact NE2-NE2 3.04Å; Q26-H28 PolarHBondContact O-N 3.04Å
27T60.1Low59Low124 Ų124144 Ų14476%0.76175%0.745SS**  trans-68.377.5175.339.90000110.7V25 L29V25-T27 HydrophobicContact CG1-CG2 4.14Å; V25-T27 PolarHBondContact O-N 3.18Å; T27-L29 PolarHBondContact O-N 3.03Å
28H56.2Low58.1Low164 Ų164146.7 Ų146.776%0.75976%0.755SS**  trans-60.7100.2162.3-78-78.6000108.5Q26 I30Q26-H28 PolarHBondContact NE2-NE2 3.04Å; Q26-H28 PolarHBondContact O-N 3.04Å; H28-I30 PolarHBondContact O-N 3.48Å
29L55.9Low57.2Low159 Ų159151.7 Ų151.783%0.83277%0.773SS**  trans-70.282.4174.8-175.467.8000109.3T27 K31T27-L29 PolarHBondContact O-N 3.03Å; L29-K31 PolarHBondContact O-N 3.14Å; L29-K31 VanDerWaalsContact O-N 3.1Å
30I56.5Low56.8Low148 Ų148156.7 Ų156.776%0.75979%0.792SS**  trans-63.3111173.7-60.5174000107.4H28 P32H28-I30 PolarHBondContact O-N 3.48Å; I30-P32 WeakPolarHBondContact O-CD 3.32Å
31K63.3Low56Low180 Ų180156.6 Ų156.678%0.78380%0.799SS**  trans-66.1123173.8-65.6179.4179.3179.40108.6L29 G33L29-K31 PolarHBondContact O-N 3.14Å; L29-K31 VanDerWaalsContact O-N 3.1Å; K31-G33 PolarHBondContact O-N 3.38Å
32P51.4Low55.1Low139 Ų139151.2 Ų151.290%0.90380%0.796SS**  trans-69.795.2171.928.2-32.4000108.7I30I30-P32 WeakPolarHBondContact O-CD 3.32Å
33G54.4Low53.9Low64 Ų64148.6 Ų148.666%0.6679%0.792SS**  trans-117.6-2.1-159.500000117K31K31-G33 PolarHBondContact O-N 3.38Å
34T55.3Low53.5Low141 Ų141147.5 Ų147.587%0.86579%0.788SS**SBendtrans-149.4152.2176.9-1.80000112.1M36T34-M36 PolarHBondContact O-N 2.92Å
35K57.7Low52.7Low203 Ų203148.6 Ų148.688%0.88379%0.793SS**  trans-77.2113.8-171.7-57.4170.3-175.4176.50110.6L37K35-L37 PolarHBondContact O-N 2.8Å
36M41.1Very low51.8Low179 Ų179147.4 Ų147.488%0.88280%0.795SS**  trans-77108.3163.1-71.3-171.57200109.1T34 T38T34-M36 PolarHBondContact O-N 2.92Å; M36-T38 PolarHBondContact O-N 2.86Å
37L52.2Low51.3Low161 Ų161145.9 Ų145.984%0.84380%0.799SS**  trans-75.3110.6162.4-80.2164.3000107.7K35 L39K35-L37 PolarHBondContact O-N 2.8Å; L37-L39 PolarHBondContact O-N 3.25Å; L37-L39 VanDerWaalsContact O-N 3.08Å
38T48.6Very low50.6Low124 Ų124147.5 Ų147.576%0.76180%0.801SS**  trans-7099.917449.40000109.6M36M36-T38 PolarHBondContact O-N 2.86Å
39L47.1Very low49.7Very low166 Ų166149.5 Ų149.587%0.86980%0.804SS**  trans-75.8124.9166.1-66176000108.6L37L37-L39 PolarHBondContact O-N 3.25Å; L37-L39 VanDerWaalsContact O-N 3.08Å
40L52.4Low49.2Very low153 Ų153151.1 Ų151.180%0.80180%0.804SS**  trans-73.1147.6179.4-66.5169.7000110.5G42L40-G42 PolarHBondContact O-N 3.02Å
41P43.7Very low48.8Very low136 Ų136149.7 Ų149.788%0.88380%0.802SS**SBendtrans-74.490.2-17930.7-34.7000110.5
42G49.8Very low47.7Very low71 Ų71150.4 Ų150.473%0.73281%0.809SS**  trans179.612.6-176.800000120.5L40L40-G42 PolarHBondContact O-N 3.02Å
43E41.3Very low47.4Very low147 Ų147155.2 Ų155.269%0.68781%0.809SS**  trans-140.4127.1174.5-78.5-147.69900116.6
44R48.9Very low46.6Very low205 Ų205163.4 Ų163.477%0.77482%0.82SS**  trans65.4120.8144.8-68.4-177-92.6150.2-5.2120.6
45K49.7Very low46.2Very low214 Ų214161.2 Ų161.293%0.9382%0.816SS**  trans-33.3129.3167.5-56.5171.4-179.4179.50114.7
46A43.8Very low45.8Very low88 Ų88157 Ų15773%0.72781%0.809SS**  trans-96.1101.316900000111.4I48A46-I48 HydrophobicContact CB-CG1 4.25Å; A46-I48 PolarHBondContact O-N 2.89Å
47S47.8Very low46.3Very low97 Ų97153.2 Ų153.268%0.67880%0.8SS**  trans-8596.616251.70000108.6Y49S47-Y49 PolarHBondContact O-N 2.95Å
48I44.9Very low46.4Very low159 Ų159152.9 Ų152.982%0.81581%0.805SS**  trans-78.391.6-175.8-56.1-179.2000109.1A46A46-I48 HydrophobicContact CB-CG1 4.25Å; A46-I48 PolarHBondContact O-N 2.89Å
49Y36.9Very low46.8Very low206 Ų206150.5 Ų150.581%0.80881%0.805SS**  trans-69.7143.9169.5-87.2-90.4000111.3S47S47-Y49 PolarHBondContact O-N 2.95Å
50F46.2Very low47.2Very low192 Ų192149.4 Ų149.484%0.84280%0.799SS**  trans-76.2161.4-176.3-170.8-116.7000112.3
51T47.9Very low47.8Very low118 Ų118149.9 Ų149.972%0.72480%0.797SS**  trans75115.6177.977.70000118.1
52Q40.8Very low49Very low196 Ų196152 Ų15292%0.91680%0.795SS**  -153.2145.6118.1-161.5162.59.400109.9
53R43.7Very low49.9Very low239 Ų239158.4 Ų158.490%0.90280%0.797SS**  trans-106.5153.9177.4-81.6-174.4-83.2-177.3-7.9111.3
54R38.6Very low51.4Low236 Ų236155.1 Ų155.189%0.89179%0.79SS**  trans113.1103.9137.3-167.6-172.8-117.1174.1-2.6117.5
55A46.3Very low52.3Low95 Ų95151.1 Ų151.179%0.78578%0.783SS**  trans-145.4119.6133.500000108.1
56P49.6Very low52.8Low115 Ų115144.1 Ų144.175%0.74777%0.765SS**  trans-79125.3175.231-31.4000110T58P56-T58 PolarHBondContact O-N 2.85Å
57S51.2Low53.5Low99 Ų99144.2 Ų144.269%0.69276%0.761SS**  trans-78.9110.9174.343.30000110.8G59S57-G59 PolarHBondContact O-N 2.87Å
58T55.1Low54.1Low154 Ų154147.4 Ų147.495%0.94576%0.762SS**THydrogen-bonded Turntrans-64.5101.3173.3-510000110.1P56P56-T58 PolarHBondContact O-N 2.85Å
59G56.3Low54.9Low74 Ų74147.6 Ų147.676%0.76376%0.757SS**THydrogen-bonded Turntrans155.5-19.3170.600000117.7S57S57-G59 PolarHBondContact O-N 2.87Å
60I56.5Low56.1Low144 Ų144142.3 Ų142.374%0.73875%0.747SS**  trans-111.6101.5-177-56.9180000110.5Q62I60-Q62 PolarHBondContact O-N 2.91Å; I60-Q62 VanDerWaalsContact O-N 3.15Å
61H64.9Low56.3Low163 Ų163141.2 Ų141.276%0.75575%0.749SS**  trans-86.777.9178.4-162.995.4000110.8R63H61-R63 PolarHBondContact O-N 2.88Å
62Q69.6Low56.8Low179 Ų179143.1 Ų143.184%0.83675%0.75SS**  trans-65.599.7179.9-173.2179.98.800111.1I60 S64I60-Q62 PolarHBondContact O-N 2.91Å; I60-Q62 VanDerWaalsContact O-N 3.15Å; Q62-S64 PolarHBondContact O-N 2.85Å
63R68.3Low57.4Low206 Ų206139.2 Ų139.278%0.77774%0.741SS**  trans-74.7107174.6-66.3-178.1-179.8157.10.6109.7H61H61-R63 PolarHBondContact O-N 2.88Å
64S71.9Confident57.4Low79 Ų79131.2 Ų131.255%0.55273%0.733SS**  trans-68.6131.5173.3-178.90000110.8Q62 A66 S67Q62-S64 PolarHBondContact O-N 2.85Å; S64-A66 PolarHBondContact O-N 3.04Å; S64-A66 VanDerWaalsContact O-N 3.14Å; S64-A66 PolarHBondContact OG-N 3.23Å; S64-S67 VanDerWaalsContact O-CB 3.29Å; S64-S67 WeakPolarHBondContact O-CB 3.4Å; S64-S67 PolarHBondContact O-N 3.26Å
65I68.7Low57.8Low121 Ų121129.1 Ų129.162%0.62173%0.731SS**G310 helixtrans-60.6-22.1178.3-77.2170000112.4S67 F68 F69I65-S67 PolarHBondContact O-N 3.26Å; I65-F68 WeakPolarHBondContact O-CD2 3.39Å; I65-F68 PolarHBondContact O-N 3.37Å; I65-F69 HydrophobicContact CG2-CE2 3.89Å
66A59.3Low58Low67 Ų67131.1 Ų131.155%0.55473%0.733SS**G310 helixtrans-54.9-24.5171.700000113.5S64 F68 F69S64-A66 PolarHBondContact O-N 3.04Å; S64-A66 VanDerWaalsContact O-N 3.14Å; S64-A66 PolarHBondContact OG-N 3.23Å; A66-F68 PolarHBondContact O-N 2.77Å; A66-F69 PolarHBondContact O-N 3.49Å
67S58.6Low57.7Low90 Ų90132.9 Ų132.963%0.62974%0.736SS**G310 helixtrans-63.9-15176.2-170.80000114.6S64 I65S64-S67 VanDerWaalsContact O-CB 3.29Å; S64-S67 WeakPolarHBondContact O-CB 3.4Å; S64-S67 PolarHBondContact O-N 3.26Å; I65-S67 PolarHBondContact O-N 3.26Å
68F60.1Low57Low163 Ų163131.5 Ų131.572%0.71574%0.738SS**G310 helixtrans-91.6-11.8179.8-66.3-75.3000113.8I65 A66I65-F68 WeakPolarHBondContact O-CD2 3.39Å; I65-F68 PolarHBondContact O-N 3.37Å; A66-F68 PolarHBondContact O-N 2.77Å
69F61.9Low56.5Low163 Ų163129.6 Ų129.672%0.71573%0.731SS**  trans-99.5-0.6-172.9-67.9-74.9000114.8I65 A66 L71I65-F69 HydrophobicContact CG2-CE2 3.89Å; A66-F69 PolarHBondContact O-N 3.49Å; F69-L71 PolarHBondContact O-N 3.44Å
70T62.7Low55.9Low96 Ų96134 Ų13459%0.58974%0.737SS**  trans-76.891.6171.256.40000110.3Q72T70-Q72 PolarHBondContact O-N 2.9Å
71L49.6Very low55.5Low168 Ų168136.1 Ų136.188%0.8874%0.744SS**  trans-59.899.7166.6-73.7165.3000109.3F69 P73F69-L71 PolarHBondContact O-N 3.44Å; L71-P73 WeakPolarHBondContact O-CD 3.44Å
72Q59.6Low54Low159 Ų159138.2 Ų138.274%0.74375%0.751SS**PPolyproline II helixtrans-70.7122.6171.9-72.5-73.3-28.100109.1T70 G74T70-Q72 PolarHBondContact O-N 2.9Å; Q72-G74 PolarHBondContact O-N 2.9Å
73P52.1Low52.5Low113 Ų113135 Ų13573%0.73475%0.749SS**PPolyproline II helixtrans-58.1128.5170.2-23.535000110L71 K75L71-P73 WeakPolarHBondContact O-CD 3.44Å; P73-K75 PolarHBondContact O-N 2.82Å
74G45.6Very low50.8Low72 Ų72131.8 Ų131.874%0.74275%0.751SS**PPolyproline II helixtrans-62.7118.8-168.200000113.4Q72 T76Q72-G74 PolarHBondContact O-N 2.9Å; G74-T76 PolarHBondContact O-N 3.45Å
75K45.9Very low49.4Very low192 Ų192133.2 Ų133.284%0.83576%0.761SS**  trans-81.194.2167.8-82.6170.657.6176.60109.9P73P73-K75 PolarHBondContact O-N 2.82Å
76T49.8Very low47.8Very low136 Ų136132.3 Ų132.383%0.83477%0.766SS**  trans-71.913316645.30000110.2G74G74-T76 PolarHBondContact O-N 3.45Å
77N43.9Very low46.6Very low152 Ų152136.4 Ų136.481%0.81377%0.773SS**  trans-139.1141175.2-86.4-16.8000108
78G36.4Very low45.5Very low71 Ų71138.9 Ų138.973%0.73279%0.785SS**  trans93.179.416600000115.8
79S45.9Very low44.3Very low114 Ų114138.1 Ų138.180%0.79778%0.783SS**  trans22.2121.9140.956.90000119.9
80D42.6Very low43.2Very low167 Ų167135.2 Ų135.289%0.89378%0.783SS**  -148.5159.3115.3-127.3-29.5000112.2
81Q48.1Very low41.9Very low187 Ų187139.4 Ų139.487%0.87480%0.796SS**  trans-99.5116.1-167.9-64.2-175.85000114.3
82K33.8Very low41.2Very low207 Ų207139.4 Ų139.490%0.980%0.796SS**  trans-157.8129.6136.7-148.4166.6-174.7174.60112.7
83S38.3Very low40.5Very low113 Ų113139.3 Ų139.379%0.7980%0.8SS**  trans-92.7127.8-179.152.40000112.7
84V32.3Very low40Very low138 Ų138143.5 Ų143.584%0.83681%0.807SS**  trans-139145.3152.7-171.50000107.7
85S42.9Very low39.7Very low109 Ų109148.1 Ų148.176%0.76281%0.809SS**  trans-68.3168.6173.848.20000111.1
86S35.4Very low39.4Very low102 Ų102144.7 Ų144.771%0.71381%0.81SS**  cis-162142.737.258.30000116.5
87H34.2Very low39Very low153 Ų153146.3 Ų146.371%0.70881%0.805SS**  45105.3124.3-151.4-74.5000119.3
88T35.1Very low38.8Very low142 Ų142147.5 Ų147.587%0.87180%0.803SS**  -146.3139.4124.6-70.30000107.7
89E33.8Very low38.5Very low146 Ų146151.5 Ų151.568%0.68281%0.808SS**  trans-92.2147.7-160.6-165.8177.5158.100112.5
90S39.7Very low37.9Very low102 Ų102151.9 Ų151.971%0.71381%0.805SS**  trans-84.1140.517456.50000111.5
91Q35.8Very low37.6Very low185 Ų185149.7 Ų149.786%0.86480%0.798SS**  trans-121.9112.6153.9-70.1-160-0.300111
92L34.9Very low36.8Very low167 Ų167149 Ų14987%0.87480%0.795SS**  trans-109137.2160.8-73.3175.2000108K94L92-K94 PolarHBondContact O-N 2.64Å
93N44.9Very low36.6Very low157 Ų157145.5 Ų145.584%0.8479%0.785SS**  trans-57.7133.1179.8-53.9-28.1000111.9
94K41.3Very low36.3Very low202 Ų202145.5 Ų145.588%0.87878%0.776SS**  trans-166.3119.5137.7-106146.4-169.5175.20113.6L92L92-K94 PolarHBondContact O-N 2.64Å
95E39.2Very low36.4Very low168 Ų168146.5 Ų146.579%0.78577%0.771SS**  trans-59136.4160.3-178-166.8154.600110.3
96S40Very low35.9Very low121 Ų121149.3 Ų149.385%0.84678%0.777SS**  trans-148.5164.9160.768.90000110.1
97K40.2Very low36Very low169 Ų169152.1 Ų152.174%0.73578%0.782SS**  trans-133.2146.2-140-157.1172.6-171.7155.10113.7
98K39.6Very low36.6Very low177 Ų177150.6 Ų150.677%0.7779%0.786SS**  trans84126.8167.4-52.3179.8178.7179.70118.1
99N30.7Very low36.3Very low155 Ų155147.4 Ų147.483%0.82978%0.781SS**  trans178.2128.4131.9-82.1-21.8000104.5
100V34Very low36.2Very low122 Ų122149.1 Ų149.174%0.73979%0.794SS**  cis62.7102.334.7-169.70000109.2
101T36Very low36.1Very low121 Ų121148 Ų14874%0.74279%0.791SS**  cis-158.3172.438.1-29.40000111.8
102Q31.3Very low36.1Very low174 Ų174147.9 Ų147.981%0.81379%0.79SS**  trans71.2153.9161.9-64.6-170.5-26.800117.3
103L29.3Very low36.2Very low132 Ų132146.3 Ų146.369%0.69178%0.782SS**  cis-147.9137.5-3.8-151.679.2000112.8
104D31.7Very low35.6Very low113 Ų113144.2 Ų144.260%0.60478%0.779SS**  trans56.4148.4143.6-93.1-55.5000129.2
105H35.2Very low35.7Very low159 Ų159142.9 Ų142.974%0.73678%0.778SS**  trans62.7128.2158.4-48.3-18.6000117.6
106L31.8Very low35.4Very low169 Ų169141.6 Ų141.689%0.88578%0.781SS**  cis-148.1175.839.9-78.2166.7000114.2
107I36.8Very low35.1Very low160 Ų160141 Ų14182%0.82178%0.777SS**  trans-143.3164.1-172.8-84173.3000107.3
108P46.3Very low35.5Very low122 Ų122138.1 Ų138.179%0.79278%0.776SS**  cis-128.9169.810.925.3-1.2000117.8
109G28.9Very low35Very low74 Ų74137.3 Ų137.376%0.76378%0.779SS**  trans-92-155.3174.200000117.2
110L32.4Very low35.2Very low182 Ų182134.2 Ų134.295%0.95378%0.775SS**  trans-153.9157.6167-164.466.1000109.4
111A37.9Very low35Very low78 Ų78134.2 Ų134.265%0.64578%0.776SS**  trans-132154.3175.800000111.1
112H35.2Very low35.1Very low183 Ų183132.9 Ų132.985%0.84777%0.771SS**  trans-175.2176.9135.9-104-56.9000113.1
113D37.4Very low35.4Very low134 Ų134130.7 Ų130.772%0.71777%0.77SS**  trans-96.8-169.7-157.3-49.2-97.9000115.6
114C32.9Very low35.6Very low114 Ų114130.5 Ų130.577%0.7777%0.774SS**  trans102.1104.2150.6-68.60000120.1
115M42.1Very low35.9Very low173 Ų173128.7 Ų128.785%0.85278%0.775SS**  trans61.4119.1131.1-49.9-59.5-89.100120
116V34.1Very low35.8Very low142 Ų142127.7 Ų127.786%0.86178%0.775SS**  179.9139.6111148.80000110.4
117S32.9Very low36.2Very low108 Ų108125.7 Ų125.776%0.75576%0.764SS**  trans-108.3161.6172-68.40000108.3
118P48.2Very low36.2Very low108 Ų108125.5 Ų125.570%0.70176%0.76SS**  cis-156.7-169.542.345.4-23.7000118.2
119L30.2Very low35.7Very low160 Ų160128.3 Ų128.384%0.83876%0.762SS**  trans68.6138.3158.4-99.857.6000117.9
120A33.7Very low36Very low91 Ų91128.9 Ų128.975%0.75276%0.759SS**  cis-129.2141.67.400000113.9
121T31Very low36Very low122 Ų122124 Ų12475%0.74875%0.753SS**  trans-59.9170.2156.7-3.40000110.4
122S36.7Very low35.8Very low93 Ų93128.4 Ų128.465%0.6577%0.765SS**  cis-173.1139.923.634.30000108.8
123T38.1Very low35.5Very low127 Ų127124.8 Ų124.878%0.77976%0.76SS**  76.114198.4-53.40000114.5
124T34.8Very low35.9Very low129 Ų129123.2 Ų123.279%0.79176%0.757SS**  cis-169.9-166.2-17.165.60000109
125A37.1Very low35.7Very low74 Ų74126.5 Ų126.561%0.61276%0.761SS**  trans-58.6176.9164.500000112.8
126D33.2Very low35.3Very low139 Ų139122.5 Ų122.574%0.74375%0.75SS**  cis-155.9-165.518.5-152.721.5000109.1
127I41.3Very low35.3Very low127 Ų127123.3 Ų123.365%0.65175%0.749SS**  cis-156.1-138.914.1-164.1155.8000111.8
128Q36.7Very low35.3Very low156 Ų156125.9 Ų125.973%0.72975%0.749SS**  trans-83.5-176.5178.3-58.714248.900110.9
129E34Very low34.6Very low180 Ų180127.3 Ų127.384%0.84176%0.756SS**  cis-155.9176.113.2-146.6-167.1143.700105.4
130A35.9Very low35.1Very low86 Ų86125.9 Ų125.971%0.71176%0.759SS**  cis-173-170.324.600000108.5
131G33.5Very low34.8Very low79 Ų79124.2 Ų124.281%0.81475%0.751SS**  trans101.697153.500000117.9
132L32.2Very low34.9Very low171 Ų171127.5 Ų127.590%0.89576%0.758SS**  trans-65.1143.1178.6-60.3164.5000115.1
133S28.8Very low34.7Very low107 Ų107131.7 Ų131.775%0.74877%0.766SS**  26160.4124.8-84.80000122.4
134P45.8Very low34.3Very low102 Ų102136 Ų13666%0.66277%0.768SS**  cis-146.6-174.3-32.841.6-23.1000115
135Q28.8Very low34.2Very low183 Ų183134.5 Ų134.586%0.85576%0.759SS**  trans80159.9141.5-156.3155.6000120.7
136S35.2Very low33.8Very low88 Ų88137.9 Ų137.962%0.61576%0.762SS**  trans-83.4156.4-171.755.60000115.3
137L32.6Very low33.8Very low160 Ų160138.2 Ų138.284%0.83876%0.763SS**  -168.8-176.6119-107.4165.3000114.1
138Q34.4Very low33.5Very low161 Ų161137 Ų13775%0.75277%0.766SS**  trans-87.5177.1-173.1-60.8169.8-73.500114
139T32.6Very low33.3Very low138 Ų138136.7 Ų136.785%0.84777%0.769SS**  trans79.3127.9159.274.90000118.6
140S40.9Very low33.3Very low130 Ų130135.7 Ų135.791%0.90977%0.769SS**  -176.5169.2124.7-166.80000108.6
141G28Very low33.5Very low56 Ų56138.1 Ų138.158%0.57777%0.765SS**  trans-139.5166.1-171.400000116.7
142H32.4Very low34.2Very low192 Ų192140.3 Ų140.389%0.88977%0.765SS**  trans44.3103.9161-65.5-48000120.9
143H32.2Very low34.3Very low180 Ų180138 Ų13883%0.83375%0.753SS**  trans-167.5146.8134.938.1-84.8000108.1
144R29.5Very low34.7Very low217 Ų217138.8 Ų138.882%0.81975%0.754SS**  cis-164.8161.63.7-140.7-178.4139.2-179.8-3.4110.4
145T33.1Very low34.1Very low98 Ų98141.8 Ų141.860%0.60176%0.763SS**  trans63.3130141.8-76.70000118.1
146E29.3Very low34.4Very low145 Ų145139.9 Ų139.968%0.67876%0.759SS**  cis-170.5176.65.3-143.8150.6-100.300113.4
147L33.3Very low34.5Very low146 Ų146142 Ų14276%0.76477%0.773SS**  trans67.3135.9166.2-58.5168.2000116.9
148S33.8Very low34.7Very low102 Ų102139.5 Ų139.571%0.71378%0.775SS**  cis-139.8132.81.3-71.50000108.8
149L32.2Very low34.6Very low149 Ų149135.3 Ų135.378%0.7878%0.775SS**  69.5124.581-99169.2000116.9
150L33.9Very low35.1Very low160 Ų160138 Ų13884%0.83878%0.778SS**  trans82.399.1161.6-67.2164.4000121
151Q41.3Very low35.2Very low136 Ų136139 Ų13964%0.63677%0.771SS**  trans-81.8161.3147177.4-172.72.500110D153Q151-D153 PolarHBondContact NE2-OD1 3.44Å; Q151-D153 PolarHBondContact NE2-OD2 2.87Å
152P48.5Very low35.7Very low125 Ų125143.5 Ų143.581%0.81278%0.782SS**  trans-127.7153.314237.2-28.8000112.7
153D33.6Very low36Very low122 Ų122140.8 Ų140.865%0.65278%0.779SS**  trans-118157.1-177.3-90.4-26000112.9Q151Q151-D153 PolarHBondContact NE2-OD1 3.44Å; Q151-D153 PolarHBondContact NE2-OD2 2.87Å
154T36.7Very low36.7Very low124 Ų124137.6 Ų137.676%0.76178%0.775SS**  trans58.9122.4155.3-50.70000120.1
155L32.9Very low36.8Very low165 Ų165135.1 Ų135.186%0.86478%0.777SS**  trans-153.8131.9137.8-133.7163.3000110.9
156D35.5Very low36.9Very low144 Ų144133.9 Ų133.977%0.7778%0.776SS**  trans-65.5153.6170-80.9-60.4000112.6
157C37.1Very low37Very low132 Ų132136 Ų13689%0.89278%0.784SS**  trans-159.2138.2141.6-130.70000111.7
158A37.5Very low36.9Very low107 Ų107134.5 Ų134.588%0.88479%0.786SS**  trans-83.4152174.400000111.4
159G32.2Very low37.1Very low73 Ų73138.2 Ų138.275%0.75379%0.789SS**  trans-176.391.8177.100000112.8
160E43.6Very low37.3Very low195 Ų195137.8 Ų137.891%0.91179%0.793SS**  trans-71.7130.5168.9-60.417913200110.3
161I41.7Very low37.7Very low150 Ų150138 Ų13877%0.76979%0.79SS**  trans-155111.9150.423.4174.4000111.8
162N38.6Very low37.4Very low152 Ų152138.4 Ų138.481%0.81380%0.796SS**  trans57.995.9142.1-52.8-24.7000119.6
163T40.6Very low36.7Very low134 Ų134138.8 Ų138.882%0.82279%0.791SS**  trans-64.7177140.5590000110.9
164P45.9Very low36.8Very low114 Ų114141 Ų14174%0.7480%0.797SS**  cis-131.1175.8-1.443.1-28.3000114.3
165L31.5Very low36.7Very low165 Ų165140.3 Ų140.386%0.86480%0.797SS**  -171.991.1111.8-172.961000110.6
166A35.5Very low36.9Very low71 Ų71137.3 Ų137.359%0.58779%0.79SS**  trans-105.5162.515300000108.6
167F31Very low36.6Very low189 Ų189135.9 Ų135.983%0.82979%0.791SS**  trans92127170-60.7-75000119.8
168S31.1Very low36.5Very low116 Ų116137.6 Ų137.681%0.81179%0.79SS**  trans68.1154.9144.551.30000120.3
169F38.3Very low36.3Very low179 Ų179140 Ų14079%0.78579%0.787SS**  cis-174.8122.6-28.1-178.5-86.6000107E171F169-E171 HydrophobicContact CE1-CB 4.34Å
170T37Very low36.2Very low141 Ų141144 Ų14487%0.86579%0.791SS**  trans-145.693.5169.651.30000111.1
171E41.8Very low36Very low165 Ų165142.7 Ų142.777%0.77179%0.785SS**  trans-5.7131134.1179.9171.8-148.400117.2F169F169-E171 HydrophobicContact CE1-CB 4.34Å
172D35.3Very low35.8Very low144 Ų144143.8 Ų143.877%0.7778%0.784SS**  trans-152.6151.7132.7-152.54.3000113.1
173L34Very low36Very low133 Ų133144.9 Ų144.970%0.69678%0.784SS**  trans11.7116.3171.6-106.762.9000124.8
174E35.9Very low35.7Very low168 Ų168146.1 Ų146.179%0.78578%0.781SS**  99.4140.5114.8-110.7-172.5152.200124.5
175S32.7Very low35.3Very low109 Ų109149.4 Ų149.476%0.76278%0.783SS**  trans74140.7165.379.40000119.5
176S37.4Very low35.4Very low103 Ų103145.1 Ų145.172%0.7278%0.779SS**  cis-165147.3-37.6-1190000111.2
177C30.8Very low35.6Very low114 Ų114149.5 Ų149.577%0.7779%0.793SS**  trans50110.5159-55.40000119.7
178L33.9Very low36.4Very low167 Ų167146 Ų14687%0.87479%0.792SS**  168.7106.6110.7-92.4168.7000113.1
179L33Very low37.2Very low158 Ų158145.8 Ų145.883%0.82780%0.797SS**  trans179.4134.6130.8-106.1154.9000110.6Q181L179-Q181 HydrophobicContact CD2-CB 4.44Å
180D31Very low37.1Very low156 Ų156146.9 Ų146.983%0.83480%0.796SS**  trans-137.7138.1149-175.318.8000108.2
181Q38.5Very low37.2Very low169 Ų169147.3 Ų147.379%0.7979%0.786SS**  trans-164.194.5179.1-173.3-179.8114.700110.8L179L179-Q181 HydrophobicContact CD2-CB 4.44Å
182K38.4Very low36.8Very low173 Ų173148.8 Ų148.875%0.75278%0.784SS**  trans-166.1118.1139.1-102.1176.2178.3-169.70107.8
183E42.2Very low36.7Very low174 Ų174147.2 Ų147.281%0.81377%0.772SS**  65.882.776.6-165-173.5-160.400113.4
184E34.5Very low36.8Very low161 Ų161150.4 Ų150.475%0.75278%0.775SS**  -153.2126.7124-119.1-157122.300112.9
185K37.8Very low37.1Very low182 Ų182148.7 Ų148.779%0.79177%0.771SS**  38.1105.8126.6-162.9-179.4-171.5178.40119.2
186G33.7Very low37.5Very low75 Ų75151.1 Ų151.177%0.77377%0.77SS**  trans-156.8124163.200000112.6
187D40.1Very low37.4Very low164 Ų164150.1 Ų150.188%0.87778%0.776SS**  trans-74.5131.6-177.8-65.9-79.7000113.2
188S45.8Very low38.1Very low115 Ų115149.4 Ų149.480%0.80477%0.772SS**  trans-169111.2141.143.10000113.3R190S188-R190 PolarHBondContact O-N 2.86Å
189A48.1Very low38.7Very low111 Ų111150.8 Ų150.892%0.91777%0.771SS**  trans-76.1105.7165.500000110.2
190R36.7Very low39.2Very low203 Ų203151.9 Ų151.977%0.76677%0.769SS**  trans-111.480.6166.8-169.8168.4-77.9-146.5-0.7112.5S188 W192S188-R190 PolarHBondContact O-N 2.86Å; R190-W192 PolarHBondContact O-N 3.14Å
191K39.7Very low39.7Very low150 Ų150150.4 Ų150.465%0.65276%0.761SS**  trans-26.4124.2150.6178.9-168.8-178.4-167.10113E193K191-E193 WeakPolarHBondContact CE-OE2 3.34Å; K191-E193 HydrophobicContact CG-CB 4.31Å; K191-E193 IonicContact NZ-OE2 2.9Å; K191-E193 PolarHBondContact NZ-OE2 2.84Å
192W33.8Very low39.6Very low196 Ų196148.1 Ų148.174%0.74276%0.762SS**  trans-127.888.5157.3-84.9113.8000111.3R190 W194R190-W192 PolarHBondContact O-N 3.14Å; W192-W194 PolarHBondContact O-N 3.49Å
193E32.7Very low39.6Very low110 Ų110147.9 Ų147.951%0.51476%0.764SS.*  trans-77.3105.3174.5170.7179.7-134.300110K191 L195K191-E193 WeakPolarHBondContact CE-OE2 3.34Å; K191-E193 HydrophobicContact CG-CB 4.31Å; K191-E193 IonicContact NZ-OE2 2.9Å; K191-E193 PolarHBondContact NZ-OE2 2.84Å; E193-L195 HydrophobicContact CG-CB 4.4Å; E193-L195 HydrophobicContact CG-CD1 3.92Å; E193-L195 HydrophobicContact CG-CG 3.85Å; E193-L195 PolarHBondContact O-N 2.95Å; E193-L195 WeakPolarHBondContact OE1-CD1 3.47Å
194W35.7Very low39.1Very low201 Ų201145 Ų14576%0.76176%0.763SS**  trans-9273.2174.7-82.887.3000111.7W192 H196W192-W194 PolarHBondContact O-N 3.49Å; W194-H196 AromaticContact CE3-CD2 3.98Å; W194-H196 AromaticContact CZ3-CD2 3.93Å; W194-H196 AromaticContact CZ3-NE2 3.9Å; W194-H196 PolarHBondContact O-N 2.93Å
195L43.5Very low39.2Very low131 Ų131145.5 Ų145.569%0.68677%0.767SS**  trans-89.694.8170.4-77177.5000111.5E193E193-L195 HydrophobicContact CG-CB 4.4Å; E193-L195 HydrophobicContact CG-CD1 3.92Å; E193-L195 HydrophobicContact CG-CG 3.85Å; E193-L195 PolarHBondContact O-N 2.95Å; E193-L195 WeakPolarHBondContact OE1-CD1 3.47Å
196H39.9Very low39.2Very low161 Ų161144.6 Ų144.675%0.74576%0.763SS**  trans-124.377.9168.2-75.7-14.7000111.7W194W194-H196 AromaticContact CE3-CD2 3.98Å; W194-H196 AromaticContact CZ3-CD2 3.93Å; W194-H196 AromaticContact CZ3-NE2 3.9Å; W194-H196 PolarHBondContact O-N 2.93Å
197G34.9Very low39.5Very low82 Ų82150 Ų15085%0.84577%0.765SS**  trans-78.4123.9166.700000111.4
198S46.8Very low39.3Very low98 Ų98149.5 Ų149.569%0.68576%0.757SS**  trans-112.187.7167.3-161.10000110.6K200S198-K200 PolarHBondContact O-N 3.29Å; S198-K200 VanDerWaalsContact O-N 3.13Å
199K45.7Very low38.9Very low196 Ų196150.6 Ų150.685%0.85276%0.759SS**  trans-70.399.5176.9178.1-175178.41790110.1
200K43.5Very low38.5Very low181 Ų181154.5 Ų154.579%0.78776%0.756SS**  trans-109.591.3171.8-66.6-172.4-178.5-179.50110.6S198S198-K200 PolarHBondContact O-N 3.29Å; S198-K200 VanDerWaalsContact O-N 3.13Å
201N41.8Very low38.8Very low125 Ų125152.7 Ų152.767%0.66876%0.76SS**  trans-93.5108.8173.3-178.312.5000109
202C36.4Very low38.9Very low121 Ų121151.6 Ų151.682%0.81877%0.769SS**  trans-115.3130.8169.9-74.10000109
203Q38.9Very low38.9Very low169 Ų169145.2 Ų145.279%0.7976%0.764SS**  trans-82.1165.4-164.6-68176.8-14.900113.8M205Q203-M205 PolarHBondContact O-N 3.1Å
204S30.7Very low38.9Very low113 Ų113147.2 Ų147.279%0.7978%0.778SS**  trans-58.9125.3176.653.50000113.6K206S204-K206 PolarHBondContact O-N 3.36Å
205M37.8Very low39.2Very low172 Ų172146.4 Ų146.485%0.84778%0.78SS**  trans-93.488.1157.4-81.5-117.981.800109.6Q203 K207Q203-M205 PolarHBondContact O-N 3.1Å; M205-K207 PolarHBondContact O-N 3.18Å
206K36.6Very low38.5Very low163 Ų163146.3 Ų146.371%0.70979%0.789SS**  trans-57.2112.6173.2177.8-177.1-178.7179.80111.2S204 H208S204-K206 PolarHBondContact O-N 3.36Å; K206-H208 WeakPolarHBondContact CE-NE2 3.43Å
207K40.2Very low38.3Very low187 Ų187143.9 Ų143.981%0.81379%0.789SS**  trans-128.2117.4163.6-73-170.3177.3-178.80110M205M205-K207 PolarHBondContact O-N 3.18Å
208H37Very low38.3Very low154 Ų154149 Ų14971%0.71379%0.791SS**  trans-92127173.9-64.8-93.7000109.8K206K206-H208 WeakPolarHBondContact CE-NE2 3.43Å
209T37.3Very low38.1Very low138 Ų138149.5 Ų149.585%0.84779%0.791SS**  trans-128.4138.1156-50.20000107.4
210K39.9Very low37.8Very low194 Ų194147.6 Ų147.684%0.84379%0.79SS**  trans-84.1145.9-167.4-58.3176.8-177.6177.90111.5
211L42.4Very low37.1Very low164 Ų164142.4 Ų142.486%0.85979%0.788SS**  trans-71.8147.6152.8-70.983.8000109.1
212P40.7Very low37Very low127 Ų127145.7 Ų145.783%0.82580%0.796SS**  trans-109.2128.513433.2-25.9000108.7
213G33.6Very low37.2Very low63 Ų63146.8 Ų146.865%0.64980%0.8SS**  trans-107.6146.1156.600000108.2
214D33.4Very low37Very low151 Ų151147.9 Ų147.981%0.80780%0.802SS**  -160.4-174.5126.6-115.6-37000111.3
215K41.4Very low37.1Very low185 Ų185149.4 Ų149.480%0.80480%0.8SS**  trans-116.8174.9-148.8-58.3152.7-172.7152.60114.5
216C28.6Very low36.8Very low129 Ų129150.1 Ų150.187%0.87280%0.802SS**  trans94.9165.4149.2-142.80000117.7
217C37.3Very low36.7Very low110 Ų110152.6 Ų152.674%0.74381%0.806SS**  trans-130.2134.4-155.5-540000112.7
218Q34Very low36.6Very low190 Ų190153.8 Ų153.889%0.88881%0.811SS**  trans61.4176.3159.4-68.2-155.119.500116.2
219P42.3Very low36.4Very low107 Ų107152.2 Ų152.270%0.69581%0.812SS**  cis-127.9168.2-3.341.6-27000116.7
220L39.8Very low36.5Very low156 Ų156151.6 Ų151.682%0.81781%0.814SS**  trans19.7104.4143.9-171.164.4000119.6
221G29.5Very low36.4Very low73 Ų73147 Ų14775%0.75381%0.812SS**  trans-110.1155.2164.400000112.9
222K38.9Very low36.3Very low193 Ų193149 Ų14984%0.83981%0.814SS**  trans-120141.9-169.8-57.4165.7-174.5169.20112.6
223T40.2Very low36Very low145 Ų145149.6 Ų149.689%0.8981%0.806SS**  trans-137.6123.6163.531.90000112.8
224K35.8Very low36.2Very low191 Ų191154 Ų15483%0.8382%0.815SS**  trans-71.9169.9146.9-68.7172174175.90107.5
225L33Very low36.5Very low146 Ų146155.5 Ų155.576%0.76481%0.809SS**  cis-149.1154.416.2-156.667.3000105.4
226E31.6Very low36.1Very low187 Ų187156 Ų15687%0.87481%0.814SS**  -162.516192.5-93.2-152149.600113
227R33.3Very low36.4Very low215 Ų215154.2 Ų154.281%0.81181%0.809SS**  trans-130.4118.4-176.8171.5-155.4-73.9160.8-8.4109.5V229R227-V229 HydrophobicContact CG-CG2 4.17Å
228K38.3Very low37.1Very low211 Ų211154.6 Ų154.692%0.91781%0.809SS**  trans-132.2153.7146.5-72.9-163.9176-179.80110.1
229V33.9Very low37.1Very low121 Ų121152.2 Ų152.273%0.73381%0.807SS**  trans-126.4135.8-165.31750000108.9R227R227-V229 HydrophobicContact CG-CG2 4.17Å
230S38.2Very low36.8Very low125 Ų125153 Ų15387%0.87481%0.805SS**  trans-136.2128.7152.552.70000107.7
231A38.3Very low36.6Very low98 Ų98153.7 Ų153.781%0.8181%0.809SS**  trans-104.9141.2-177.100000110.3
232K40.4Very low36.9Very low205 Ų205157.3 Ų157.389%0.89181%0.806SS**  trans-147.2105.1152.1-163.3167.3-174.81770109.8
233E34.7Very low36.5Very low140 Ų140154.2 Ų154.265%0.65480%0.803SS**  trans-69.1133.6169.1179.1176.8-173.300109.2R235E233-R235 HydrophobicContact CG-CG 4.47Å; E233-R235 IonicContact OE1-CZ 2.64Å; E233-R235 VanDerWaalsContact OE1-CZ 3.27Å; E233-R235 IonicContact OE1-NE 3.27Å; E233-R235 PolarHBondContact OE1-NE 3Å; E233-R235 IonicContact OE1-NH2 2.68Å; E233-R235 PolarHBondContact OE1-NH2 3.41Å
234N37.6Very low35.9Very low157 Ų157157.7 Ų157.784%0.8480%0.802SS**  trans-147.2147.8139.4-155.6-2.8000109.1
235R39.2Very low35.7Very low182 Ų182157.8 Ų157.869%0.68780%0.797SS**  trans-108.4138.7-176.4-54.1175.7-171.6-173.30.6109E233E233-R235 HydrophobicContact CG-CG 4.47Å; E233-R235 IonicContact OE1-CZ 2.64Å; E233-R235 VanDerWaalsContact OE1-CZ 3.27Å; E233-R235 IonicContact OE1-NE 3.27Å; E233-R235 PolarHBondContact OE1-NE 3Å; E233-R235 IonicContact OE1-NH2 2.68Å; E233-R235 PolarHBondContact OE1-NH2 3.41Å
236Q33Very low35.7Very low196 Ų196158.6 Ų158.692%0.91680%0.797SS**  178.2148.9117.4-96.7148.7-9.100113.8
237A36.3Very low36.1Very low91 Ų91154.7 Ų154.775%0.75279%0.79SS**  trans-157.1169.3165.300000105.7
238P50.9Low36.1Very low117 Ų117155.6 Ų155.676%0.7679%0.794SS**  cis-121.9177-2.641.2-28.3000113.1
239V34.5Very low36.2Very low140 Ų140153.3 Ų153.385%0.84879%0.792SS**  trans-129.1139.7151.3178.30000108.4
240L34.9Very low36.2Very low124 Ų124150.7 Ų150.765%0.64979%0.789SS**  trans-112.7129.4-175.2164.5156.9000107.9Q242L240-Q242 HydrophobicContact CD2-CG 3.72Å
241L37Very low36.3Very low170 Ų170154 Ų15489%0.8979%0.791SS**  trans-115.5108.6174.8-73.1179.6000110.2
242Q34.2Very low36.2Very low149 Ų149156.8 Ų156.870%0.69679%0.792SS**  trans-89.6153.2169.6-79.9167-28.500110.6L240L240-Q242 HydrophobicContact CD2-CG 3.72Å
243T32.1Very low36.3Very low128 Ų128154.2 Ų154.279%0.78579%0.793SS**  trans4199.6148590000117.8
244Y26.7Very low36.5Very low219 Ų219156 Ų15686%0.85980%0.801SS**  trans-77.6131.5147.1-172.8-105.3000108.5
245R32.6Very low36.6Very low192 Ų192153.4 Ų153.473%0.72580%0.796SS**  trans-115.4148.9-177.6-163.5-144.3-74.1-104.52110.2
246E32.5Very low36.2Very low164 Ų164151.2 Ų151.277%0.76680%0.802SS**  trans-17.9135.4165.5-57.6134.6158.100116.1
247S39.9Very low37Very low105 Ų105151.7 Ų151.773%0.73480%0.801SS**  trans-120.1127.5157.3-169.40000108.8
248W33.3Very low36.9Very low233 Ų233155.1 Ų155.188%0.88380%0.802SS**  trans-107.1121.6-172-172-29.1000108.6
249N39.6Very low36.8Very low164 Ų164155.5 Ų155.588%0.87781%0.807SS**  trans-115.1130.3161.9-81.6-22.1000108
250G34.2Very low36.9Very low65 Ų65153 Ų15367%0.6780%0.796SS**  trans-140.5133.5178.400000110.3
251E40.4Very low37Very low195 Ų195152.3 Ų152.391%0.91180%0.8SS**  trans-136.3140.8168.4-170.9162.1-156.900107.6
252N36.8Very low37.1Very low157 Ų157150.2 Ų150.284%0.8480%0.797SS**  trans-101.8134.2-167.5-64.5-81.1000111.1
253V42.6Very low37.4Very low151 Ų151148.9 Ų148.992%0.91580%0.798SS**  trans-130.5130.3155.3-176.30000107.9
254E37.8Very low37.9Very low176 Ų176146.4 Ų146.482%0.82279%0.787SS**  trans-100.5125.1-163.3-173.6176-177.500113
255S40.3Very low38.4Very low104 Ų104142.1 Ų142.173%0.72778%0.783SS**  trans60121.615974.40000120.1
256V30.9Very low38.8Very low136 Ų136140.6 Ų140.682%0.82478%0.782SS**  -144.9134.5121.3169.50000107.7
257K48.9Very low39.1Very low205 Ų205138 Ų13889%0.89178%0.782SS**  trans-76.5118.1166.8-78.9178.8174.4176.30110
258Q33.8Very low39.2Very low164 Ų164144.4 Ų144.477%0.76679%0.79SS**  trans-137.1111.8147.7-76.4-159.6-13.100110.9S260Q258-S260 PolarHBondContact O-N 3.37Å
259S50.4Low39.7Very low124 Ų124140 Ų14087%0.86778%0.784SS**  trans-81.682.6168.652.70000109.2
260S35.1Very low39.9Very low88 Ų88137 Ų13762%0.61577%0.768SS**  trans-102.398.6179.9-600000109.6Q258 P262Q258-S260 PolarHBondContact O-N 3.37Å; S260-P262 WeakPolarHBondContact O-CD 3.28Å
261C37.8Very low40.6Very low110 Ų110142.6 Ų142.674%0.74378%0.776SS**  trans-61125.8173.5-60.90000109.5V263C261-V263 VanDerWaalsContact C-N 3.31Å; C261-V263 PolarHBondContact O-N 3.29Å
262P39.8Very low40.8Very low125 Ų125138.7 Ų138.781%0.81276%0.762SS**  trans-70.792.7169.329.3-32.4000108.4S260 S264S260-P262 WeakPolarHBondContact O-CD 3.28Å; P262-S264 VanDerWaalsContact C-N 3.32Å; P262-S264 PolarHBondContact O-N 3.49Å
263V40.1Very low41.5Very low121 Ų121138.5 Ų138.573%0.73376%0.761SS**  trans-62.9100.1164.8177.40000106.2C261 V265C261-V263 VanDerWaalsContact C-N 3.31Å; C261-V263 PolarHBondContact O-N 3.29Å; V263-V265 VanDerWaalsContact C-N 3.32Å; V263-V265 HydrophobicContact CG1-CG2 4.29Å; V263-V265 PolarHBondContact O-N 3.07Å
264S42.8Very low42.1Very low77 Ų77136 Ų13654%0.53874%0.743SS.*  trans-7489.5-177-163.10000109.3P262 F266P262-S264 VanDerWaalsContact C-N 3.32Å; P262-S264 PolarHBondContact O-N 3.49Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 VanDerWaalsContact O-CD2 3.32Å; S264-F266 WeakPolarHBondContact O-CD2 3.47Å; S264-F266 PolarHBondContact O-N 3.07Å; S264-F266 WeakPolarHBondContact OG-CE2 3.43Å; S264-F266 WeakPolarHBondContact OG-CZ 2.93Å
265V37Very low43.1Very low129 Ų129135.6 Ų135.678%0.78274%0.738SS**  trans-72.688.2169.9-178.20000107.2V263 S267V263-V265 VanDerWaalsContact C-N 3.32Å; V263-V265 HydrophobicContact CG1-CG2 4.29Å; V263-V265 PolarHBondContact O-N 3.07Å; V265-S267 PolarHBondContact O-N 3.11Å
266F39.7Very low43.9Very low159 Ų159136.3 Ų136.370%0.69773%0.733SS**  trans-66.7102.9176-75.4-80.5000110.1S264 W268S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 VanDerWaalsContact O-CD2 3.32Å; S264-F266 WeakPolarHBondContact O-CD2 3.47Å; S264-F266 PolarHBondContact O-N 3.07Å; S264-F266 WeakPolarHBondContact OG-CE2 3.43Å; S264-F266 WeakPolarHBondContact OG-CZ 2.93Å; F266-W268 PolarHBondContact O-N 2.92Å; F266-W268 VanDerWaalsContact O-N 3.15Å
267S39.7Very low45.3Very low109 Ų109132.9 Ų132.976%0.76272%0.715SS**  trans-69.9102.8168.2-176.60000109.1V265 D269V265-S267 PolarHBondContact O-N 3.11Å; S267-D269 VanDerWaalsContact C-N 3.28Å; S267-D269 PolarHBondContact O-N 2.87Å; S267-D269 VanDerWaalsContact O-N 3.09Å
268W43Very low45.5Very low240 Ų240131.9 Ų131.991%0.90971%0.706SS**  trans-87.166.8-179.9-151.9-48.6000111.8F266F266-W268 PolarHBondContact O-N 2.92Å; F266-W268 VanDerWaalsContact O-N 3.15Å
269D43.8Very low46.7Very low142 Ų142127.7 Ų127.776%0.75970%0.695SS**  trans-130.9101.3158.9-175.312.7000108.8S267S267-D269 VanDerWaalsContact C-N 3.28Å; S267-D269 PolarHBondContact O-N 2.87Å; S267-D269 VanDerWaalsContact O-N 3.09Å
270N42.8Very low47.3Very low100 Ų100127.9 Ų127.954%0.53568%0.682SS.*  trans-160.989.9170.7-166.912.4000110.1N272N270-N272 PolarHBondContact O-N 2.81Å; N270-N272 WeakPolarHBondContact OD1-CB 3.42Å; N270-N272 PolarHBondContact OD1-ND2 3.08Å
271E48.6Very low48.7Very low182 Ų182126.8 Ų126.885%0.8567%0.669SS**  trans-74.252.6169.9-159.5-170.6154.100111.6
272N44.3Very low50.3Low113 Ų113125.7 Ų125.760%0.60465%0.652SS**  trans-127.7121.5173-70.2-80.1000110N270 D274N270-N272 PolarHBondContact O-N 2.81Å; N270-N272 WeakPolarHBondContact OD1-CB 3.42Å; N270-N272 PolarHBondContact OD1-ND2 3.08Å; N272-D274 PolarHBondContact O-N 3.07Å
273N52.5Low52Low153 Ų153123.5 Ų123.582%0.81864%0.636SS**  trans-79.267.9-177.7-84-98.3000111.1
274D55.3Low54Low100 Ų100124.5 Ų124.554%0.53563%0.633SS.*  trans-64.7135.4178.1-139.8-25.6000110.8N272 D276 S277N272-D274 PolarHBondContact O-N 3.07Å; D274-D276 PolarHBondContact O-N 2.86Å; D274-S277 WeakPolarHBondContact O-CB 3.28Å; D274-S277 PolarHBondContact O-N 2.96Å; D274-S277 PolarHBondContact O-OG 3.08Å
275K58.3Low55.9Low167 Ų167123.3 Ų123.373%0.72662%0.621SS**G310 helixtrans-70.6-24.4-169.9-67.5-60-176.7-172.90112.5S277K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 3.07Å
276D57.4Low57.8Low118 Ų118122.6 Ų122.663%0.63162%0.621SS**G310 helixtrans-78.1-9.5178.4-63.7-31.8000113.7D274 W278 S279D274-D276 PolarHBondContact O-N 2.86Å; D276-W278 PolarHBondContact O-N 2.92Å; D276-S279 WeakPolarHBondContact O-CB 3.36Å; D276-S279 PolarHBondContact O-N 3.18Å; D276-S279 PolarHBondContact O-OG 3.27Å
277S59Low59.7Low64 Ų64122.3 Ų122.345%0.44862%0.622SS.*G310 helixtrans-61.8-22.9173.8-62.80000113.2D274 K275 S279 Q280D274-S277 WeakPolarHBondContact O-CB 3.28Å; D274-S277 PolarHBondContact O-N 2.96Å; D274-S277 PolarHBondContact O-OG 3.08Å; K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 3.07Å; S277-S279 VanDerWaalsContact C-N 3.29Å; S277-S279 PolarHBondContact O-N 3.2Å; S277-Q280 PolarHBondContact O-N 2.68Å
278W55.1Low61.7Low185 Ų185119.2 Ų119.270%0.70161%0.607SS**G310 helixtrans-70.8-24.9172.5-7183.4000112.8D276 Q280 L281 F282D276-W278 PolarHBondContact O-N 2.92Å; W278-Q280 VanDerWaalsContact C-N 3.25Å; W278-Q280 PolarHBondContact O-N 3.2Å; W278-L281 WeakPolarHBondContact O-CB 3.38Å; W278-L281 PolarHBondContact O-N 3.1Å; W278-L281 VanDerWaalsContact O-N 3.15Å; W278-F282 WeakPolarHBondContact O-CD2 3.44Å
279S58.2Low63.5Low75 Ų75113.2 Ų113.252%0.52459%0.59SS.*G310 helixtrans-64-32.3176-51.80000111.8D276 S277 L281 F282D276-S279 WeakPolarHBondContact O-CB 3.36Å; D276-S279 PolarHBondContact O-N 3.18Å; D276-S279 PolarHBondContact O-OG 3.27Å; S277-S279 VanDerWaalsContact C-N 3.29Å; S277-S279 PolarHBondContact O-N 3.2Å; S279-L281 PolarHBondContact O-N 3.32Å; S279-F282 PolarHBondContact O-N 3.34Å; S279-F282 VanDerWaalsContact O-N 3.12Å
280Q62.2Low65.2Low128 Ų128116.1 Ų116.160%0.59859%0.59SS**G310 helixtrans-69-12.9176.8-64.2-177.3-13.300113.6S277 W278 F282S277-Q280 PolarHBondContact O-N 2.68Å; W278-Q280 VanDerWaalsContact C-N 3.25Å; W278-Q280 PolarHBondContact O-N 3.2Å; Q280-F282 VanDerWaalsContact C-N 3.3Å
281L65.1Low66.9Low65 Ų65114.6 Ų114.634%0.3458%0.584SS.*G310 helixtrans-83.4-4.9173.3-156.274.7000112.6W278 S279 I292 A293W278-L281 WeakPolarHBondContact O-CB 3.38Å; W278-L281 PolarHBondContact O-N 3.1Å; W278-L281 VanDerWaalsContact O-N 3.15Å; S279-L281 PolarHBondContact O-N 3.32Å; L281-I292 HydrophobicContact CG-CG2 4.35Å; L281-I292 CarbonylContact O-C 3.54Å; L281-I292 WeakPolarHBondContact O-CA 3.39Å; L281-A293 PolarHBondContact O-N 3.03Å
282F71.4Confident68.3Low87 Ų87110.5 Ų110.538%0.38257%0.567SS.*EExtended strand (participates in β ladder)trans-127.6118.7-178.3-62.8-86.6000111.9W278 S279 Q280 R290 V291 I292W278-F282 WeakPolarHBondContact O-CD2 3.44Å; S279-F282 PolarHBondContact O-N 3.34Å; S279-F282 VanDerWaalsContact O-N 3.12Å; Q280-F282 VanDerWaalsContact C-N 3.3Å; F282-R290 HydrophobicContact CB-CB 4.29Å; F282-R290 HydrophobicContact CD1-CB 4.29Å; F282-V291 VanDerWaalsContact CA-O 3.29Å; F282-V291 WeakPolarHBondContact CA-O 3.29Å; F282-I292 HydrophobicContact CD1-CG1 4.07Å; F282-I292 HydrophobicContact CE1-CD1 4.42Å; F282-I292 HydrophobicContact CE1-CG1 3.53Å; F282-I292 HydrophobicContact CZ-CG1 4.22Å
283T74.9Confident69.3Low80 Ų80106 Ų10649%0.49155%0.545SS..EExtended strand (participates in β ladder)trans-96.3150.5165.344.40000109.9R290 V291 A293T283-R290 CarbonylContact O-C 3.53Å; T283-R290 WeakPolarHBondContact O-CA 3.38Å; T283-V291 PolarHBondContact N-O 3.01Å; T283-V291 WeakPolarHBondContact O-CG2 3.23Å; T283-V291 PolarHBondContact O-N 2.83Å; T283-A293 HydrophobicContact CG2-CB 3.99Å
284E82.8Confident69.6Low142 Ų142106.5 Ų106.566%0.66454%0.543SS*.EExtended strand (participates in β ladder)trans-91.2128174-162.5166.8127.500109.3
285D82.1Confident69.4Low52 Ų52107.1 Ų107.128%0.27855%0.546SS..PPolyproline II helixtrans-75171.2174.289.2-20.5000111.6Q287 G288 Q289D285-Q287 PolarHBondContact O-N 3.13Å; D285-Q287 VanDerWaalsContact OD1-C 3.23Å; D285-Q287 VanDerWaalsContact OD1-CA 3.28Å; D285-Q287 WeakPolarHBondContact OD1-CA 3.47Å; D285-Q287 WeakPolarHBondContact OD1-CB 3.34Å; D285-Q287 PolarHBondContact OD1-N 3.12Å; D285-G288 PolarHBondContact O-N 3.15Å; D285-G288 VanDerWaalsContact O-N 3.07Å; D285-G288 PolarHBondContact OD1-N 2.77Å; D285-Q289 PolarHBondContact N-O 3.22Å; D285-Q289 WeakPolarHBondContact OD1-CB 3.42Å; D285-Q289 PolarHBondContact OD1-N 3.48Å; D285-Q289 PolarHBondContact OD2-NE2 3.31Å; D285-Q289 VanDerWaalsContact OD2-NE2 3.14Å
286S78Confident68.9Low114 Ų114105.7 Ų105.780%0.79755%0.551SS**THydrogen-bonded Turntrans-63.62178.363.60000115.3
287Q80Confident68.5Low152 Ų152108.7 Ų108.771%0.7155%0.554SS**THydrogen-bonded Turntrans-121.611.3179.7-56-67.9-90.100112.1D285D285-Q287 PolarHBondContact O-N 3.13Å; D285-Q287 VanDerWaalsContact OD1-C 3.23Å; D285-Q287 VanDerWaalsContact OD1-CA 3.28Å; D285-Q287 WeakPolarHBondContact OD1-CA 3.47Å; D285-Q287 WeakPolarHBondContact OD1-CB 3.34Å; D285-Q287 PolarHBondContact OD1-N 3.12Å
288G80.7Confident68.2Low44 Ų44108.6 Ų108.645%0.45456%0.557SS.*SBendtrans83.214.7176.800000115D285D285-G288 PolarHBondContact O-N 3.15Å; D285-G288 VanDerWaalsContact O-N 3.07Å; D285-G288 PolarHBondContact OD1-N 2.77Å
289Q81.4Confident67.7Low115 Ų115105.7 Ų105.754%0.53756%0.562SS.*  trans-97.4122.6-176.2-62.3169.489.900110.9D285 V291D285-Q289 PolarHBondContact N-O 3.22Å; D285-Q289 WeakPolarHBondContact OD1-CB 3.42Å; D285-Q289 PolarHBondContact OD1-N 3.48Å; D285-Q289 PolarHBondContact OD2-NE2 3.31Å; D285-Q289 VanDerWaalsContact OD2-NE2 3.14Å; Q289-V291 PolarHBondContact O-N 2.99Å; Q289-V291 VanDerWaalsContact O-N 3.11Å
290R80Confident67.1Low202 Ų202110.3 Ų110.376%0.76257%0.573SS**EExtended strand (participates in β ladder)trans-71.6101173.4-70.5-174-66.2-127.7-0.8110.4F282 T283F282-R290 HydrophobicContact CB-CB 4.29Å; F282-R290 HydrophobicContact CD1-CB 4.29Å; T283-R290 CarbonylContact O-C 3.53Å; T283-R290 WeakPolarHBondContact O-CA 3.38Å
291V78.1Confident66.2Low69 Ų69112 Ų11242%0.41858%0.581SS.*EExtended strand (participates in β ladder)trans-95.6146.4175.3-68.40000110.2F282 T283 Q289 A293F282-V291 VanDerWaalsContact CA-O 3.29Å; F282-V291 WeakPolarHBondContact CA-O 3.29Å; T283-V291 PolarHBondContact N-O 3.01Å; T283-V291 WeakPolarHBondContact O-CG2 3.23Å; T283-V291 PolarHBondContact O-N 2.83Å; Q289-V291 PolarHBondContact O-N 2.99Å; Q289-V291 VanDerWaalsContact O-N 3.11Å; V291-A293 PolarHBondContact O-N 3.04Å; V291-A293 VanDerWaalsContact O-N 3.08Å
292I78.4Confident64.9Low96 Ų96115.2 Ų115.249%0.49260%0.598SS.*EExtended strand (participates in β ladder)trans-68.1111.1176.7-66.6172.2000108.3L281 F282 H294L281-I292 HydrophobicContact CG-CG2 4.35Å; L281-I292 CarbonylContact O-C 3.54Å; L281-I292 WeakPolarHBondContact O-CA 3.39Å; F282-I292 HydrophobicContact CD1-CG1 4.07Å; F282-I292 HydrophobicContact CE1-CD1 4.42Å; F282-I292 HydrophobicContact CE1-CG1 3.53Å; F282-I292 HydrophobicContact CZ-CG1 4.22Å; I292-H294 PolarHBondContact O-N 3.47Å; I292-H294 VanDerWaalsContact O-N 3.07Å
293A64.1Low64Low17 Ų17117.6 Ų117.614%0.1462%0.62CS.*  trans-70.4101170.100000108.2L281 T283 V291 N295L281-A293 PolarHBondContact O-N 3.03Å; T283-A293 HydrophobicContact CG2-CB 3.99Å; V291-A293 PolarHBondContact O-N 3.04Å; V291-A293 VanDerWaalsContact O-N 3.08Å; A293-N295 PolarHBondContact O-N 3.02Å
294H59Low62.8Low165 Ų165117.8 Ų117.876%0.76462%0.621SS**  trans-66.989.2162.8-64.6-56.5000108.1I292 T296I292-H294 PolarHBondContact O-N 3.47Å; I292-H294 VanDerWaalsContact O-N 3.07Å; H294-T296 PolarHBondContact O-N 2.99Å
295N51.4Low61Low112 Ų112118 Ų11860%0.59963%0.626SS**  trans-48.3110.9167.3-77.9-26000107.6A293 R297A293-N295 PolarHBondContact O-N 3.02Å; N295-R297 PolarHBondContact O-N 3.25Å
296T46.9Very low59.1Low138 Ų138122.8 Ų122.885%0.84765%0.652SS**  trans-69.188.7-178.945.20000107.9H294 A298H294-T296 PolarHBondContact O-N 2.99Å; T296-A298 PolarHBondContact O-N 3.44Å
297R48.9Very low57.2Low180 Ų180128 Ų12868%0.67965%0.654SS**  trans-41.9126.1167.1-172.3-176.4-173.3-1650.3107.2N295N295-R297 PolarHBondContact O-N 3.25Å
298A53.4Low55.3Low63 Ų63126.9 Ų126.952%0.52165%0.654SS.*  trans-48.5143.9174.700000109.5T296 F300T296-A298 PolarHBondContact O-N 3.44Å; A298-F300 PolarHBondContact O-N 3.16Å
299P44.1Very low53.4Low124 Ų124136.9 Ų136.981%0.80568%0.678SS**SBendtrans-49.4129.5-179.521.8-33.5000109.1Q301P299-Q301 PolarHBondContact O-N 3.44Å
300F45.7Very low51.4Low172 Ų172138.7 Ų138.775%0.75469%0.691SS**  trans-39.5104.1-156.6-59.6-99.4000113.5A298 D302A298-F300 PolarHBondContact O-N 3.16Å; F300-D302 PolarHBondContact O-N 3.39Å; F300-D302 VanDerWaalsContact O-N 3.08Å
301Q44.8Very low49.7Very low164 Ų164137.1 Ų137.177%0.76670%0.697SS**  trans-62.6112.6160.7-77.9-176-17.700107.2P299P299-Q301 PolarHBondContact O-N 3.44Å
302D37.8Very low47.6Very low132 Ų132136.8 Ų136.871%0.70671%0.708SS**  trans-72.7128.6-174.3-169.831.3000110.1F300 T304F300-D302 PolarHBondContact O-N 3.39Å; F300-D302 VanDerWaalsContact O-N 3.08Å; D302-T304 PolarHBondContact O-N 3.24Å; D302-T304 PolarHBondContact OD1-OG1 3.5Å; D302-T304 PolarHBondContact OD2-OG1 3.44Å
303V52Low46.2Very low137 Ų137138.3 Ų138.383%0.8372%0.724SS**  trans-90.758.7-172.9-169.70000109.2
304T49.3Very low44.8Very low83 Ų83146.9 Ų146.951%0.50976%0.758SS.*  trans-139.4131.2178.9-26.50000110.1D302D302-T304 PolarHBondContact O-N 3.24Å; D302-T304 PolarHBondContact OD1-OG1 3.5Å; D302-T304 PolarHBondContact OD2-OG1 3.44Å
305N45.4Very low44.2Very low146 Ų146143.9 Ų143.978%0.78175%0.754SS**  trans68.955.5174.8-48-43.8000117.3W307N305-W307 VanDerWaalsContact C-N 3.34Å; N305-W307 PolarHBondContact O-N 2.82Å
306N42.7Very low43.5Very low153 Ų153146.2 Ų146.282%0.81877%0.766SS**  trans-87.481.3143.5-168.95.8000108.7
307W37.9Very low43.1Very low223 Ų223145.5 Ų145.585%0.84577%0.767SS**  trans-87.1116.7171.7-166.2-66.9000108.1N305 W309N305-W307 VanDerWaalsContact C-N 3.34Å; N305-W307 PolarHBondContact O-N 2.82Å; W307-W309 PolarHBondContact O-N 2.7Å
308N38.6Very low42.3Very low130 Ų130142.4 Ų142.470%0.69577%0.772SS**  trans-53.1127.9-170.4-50-82.9000112.6
309W40.5Very low41.2Very low253 Ų253149.9 Ų149.996%0.95879%0.788SS**  trans-94.4-10.6169.3-98.5-36.9000113.6W307 L311W307-W309 PolarHBondContact O-N 2.7Å; W309-L311 PolarHBondContact O-N 3.18Å
310D41.5Very low40.8Very low153 Ų153148.9 Ų148.982%0.81879%0.789SS**  trans-84.563.9-174.2-66.7-54.3000114.5
311L44.3Very low40.3Very low169 Ų169146.9 Ų146.989%0.88578%0.782SS**SBendtrans-148.986.8159-84.1-169.1000113.8W309W309-L311 PolarHBondContact O-N 3.18Å
312G33.4Very low39.8Very low63 Ų63145 Ų14565%0.64979%0.786SS**  trans84.5136.4145.400000118.4
313P49.4Very low39.9Very low128 Ų128145.5 Ų145.583%0.83178%0.784SS**  trans-83.7137.7169.933.7-32.2000111.5
314F34.1Very low39Very low196 Ų196146.1 Ų146.186%0.8678%0.778SS**  trans-129.4143.1165.8-78.3-77.9000110.6
315P46Very low38.4Very low103 Ų103149.9 Ų149.967%0.66980%0.795SS**  trans-92.7168.5-167.338-37.9000114.2
316D37.5Very low37.7Very low160 Ų160146.4 Ų146.486%0.85679%0.794SS**  trans49.3102.8150.9-54.9-20.8000119.3
317S37.4Very low37.9Very low124 Ų124144.9 Ų144.987%0.86779%0.792SS**  trans-124.5146.2136.558.90000109.6
318S32.4Very low38Very low114 Ų114140.5 Ų140.580%0.79779%0.79SS**  trans-81.1129.8-150.6560000115.6A320S318-A320 PolarHBondContact O-N 2.89Å
319W30.6Very low38.1Very low221 Ų221142.8 Ų142.884%0.83780%0.797SS**  trans-35.5111.4160.5-177.3-95.4000113.8
320A36.6Very low38.2Very low102 Ų102138.1 Ų138.184%0.84379%0.791SS**  trans-111.991.5169.400000109.3S318S318-A320 PolarHBondContact O-N 2.89Å
321Q35.1Very low38.5Very low130 Ų130137.6 Ų137.661%0.60779%0.787SS**  trans-65.5134-172-176.1173.8-18.400114.5
322C33.7Very low38.9Very low125 Ų125135.9 Ų135.985%0.84577%0.772SS**  trans-164.3152.3138.5-108.20000111.4
323Q39.6Very low39.9Very low143 Ų143136.4 Ų136.467%0.66876%0.764SS**  trans-87.6178.3-179.1-66141.4-123.800110.3
324E33.3Very low40.3Very low149 Ų149135 Ų13570%0.69675%0.75SS**  cis-157.7147.319.3-152.3144107.100112.4
325D36.2Very low41.7Very low162 Ų162131.4 Ų131.487%0.86674%0.739SS**  trans23.4119.3158.6-61.4-4.9000123
326G31.5Very low43Very low73 Ų73130.5 Ų130.575%0.75373%0.728SS**  trans175.2125.7161.500000113.6
327P46.4Very low45.1Very low122 Ų122126.9 Ų126.979%0.79271%0.705SS**  trans-88.8174.9-172.635.2-36.8000115
328T39.4Very low47.3Very low130 Ų130124 Ų12480%0.79868%0.682SS**  trans77.1109.5-17764.80000115.9N330T328-N330 PolarHBondContact O-N 2.89Å
329Q41.3Very low50Low179 Ų179125.5 Ų125.584%0.83668%0.677SS**  trans-66.7116.9175.9-64.9162-4.400109.5L331Q329-L331 PolarHBondContact O-N 2.92Å
330N41.7Very low52.7Low155 Ų155117.7 Ų117.783%0.82965%0.651SS**  trans-7490.5172.8-127.8-90.9000109T328 K332T328-N330 PolarHBondContact O-N 2.89Å; N330-K332 PolarHBondContact O-N 2.99Å
331L47.9Very low55Low141 Ų141118.9 Ų118.974%0.73865%0.653SS**  trans-59.2123.6177-70.8171.4000109.5Q329 P333Q329-L331 PolarHBondContact O-N 2.92Å; L331-P333 WeakPolarHBondContact O-CD 3.48Å
332K52.8Low57.5Low133 Ų133120.7 Ų120.758%0.57866%0.662SS**  trans-57116.8-170.9-134.3-174.6-175-130.30110.9N330 D334 L335N330-K332 PolarHBondContact O-N 2.99Å; K332-D334 WeakPolarHBondContact CD-OD2 3.16Å; K332-D334 WeakPolarHBondContact CE-OD2 3.35Å; K332-D334 IonicContact NZ-OD2 2.75Å; K332-D334 PolarHBondContact NZ-OD2 3.04Å; K332-D334 PolarHBondContact O-N 2.93Å; K332-L335 HydrophobicContact CB-CD1 4.31Å; K332-L335 PolarHBondContact O-N 3.18Å
333P56Low60.1Low75 Ų75116.4 Ų116.449%0.48764%0.638SS.*G310 helixtrans-63.9-27-176.625-33.5000112.3L331 L335 L336 F337L331-P333 WeakPolarHBondContact O-CD 3.48Å; P333-L335 PolarHBondContact O-N 3.15Å; P333-L336 PolarHBondContact O-N 3.29Å; P333-F337 WeakPolarHBondContact O-CD2 2.97Å
334D56.5Low62.4Low99 Ų99113.5 Ų113.553%0.52963%0.628SS.*G310 helixtrans-49.3-21.7176.2-42.8-7.8000114.7K332K332-D334 WeakPolarHBondContact CD-OD2 3.16Å; K332-D334 WeakPolarHBondContact CE-OD2 3.35Å; K332-D334 IonicContact NZ-OD2 2.75Å; K332-D334 PolarHBondContact NZ-OD2 3.04Å; K332-D334 PolarHBondContact O-N 2.93Å
335L63.3Low65Low119 Ų119113.6 Ų113.662%0.62363%0.628SS**G310 helixtrans-91-15.7-179-74.6160000114K332 P333K332-L335 HydrophobicContact CB-CD1 4.31Å; K332-L335 PolarHBondContact O-N 3.18Å; P333-L335 PolarHBondContact O-N 3.15Å
336L74.4Confident67.4Low85 Ų85108.9 Ų108.945%0.44561%0.605SS.*THydrogen-bonded Turntrans-86.8-17176.6-89.189.8000113.4P333 I347 R348P333-L336 PolarHBondContact O-N 3.29Å; L336-I347 CarbonylContact O-C 3.59Å; L336-I347 WeakPolarHBondContact O-CA 3.36Å; L336-R348 PolarHBondContact O-N 3.04Å
337F80.4Confident70.1Confident84 Ų84110 Ų11037%0.36859%0.593SS.*EExtended strand (participates in β ladder)trans-116.4140.6-173.8-62.1-89.4000112.1P333 Q345 V346 I347P333-F337 WeakPolarHBondContact O-CD2 2.97Å; F337-Q345 HydrophobicContact CD1-CB 4.19Å; F337-V346 WeakPolarHBondContact CA-O 3.32Å; F337-I347 HydrophobicContact CD1-CG1 3.9Å; F337-I347 HydrophobicContact CE1-CD1 4.16Å; F337-I347 HydrophobicContact CE1-CG1 3.42Å; F337-I347 VanDerWaalsContact CE1-CG1 3.42Å; F337-I347 HydrophobicContact CZ-CG1 4.07Å
338T84.8Confident71.8Confident62 Ų62110.5 Ų110.538%0.3858%0.579SS.*EExtended strand (participates in β ladder)trans-120.6155.6167.224.80000109.5Q345 V346 R348T338-Q345 WeakPolarHBondContact O-CA 3.33Å; T338-V346 PolarHBondContact N-O 3.09Å; T338-V346 WeakPolarHBondContact O-CG2 3.39Å; T338-V346 PolarHBondContact O-N 2.82Å; T338-V346 PolarHBondContact OG1-O 2.87Å; T338-R348 HydrophobicContact CG2-CG 3.93Å; T338-R348 VanDerWaalsContact OG1-CG 3.28Å; T338-R348 WeakPolarHBondContact OG1-CG 3.41Å
339Q88.2Confident73.5Confident147 Ų147111.4 Ų111.469%0.68757%0.573SS**EExtended strand (participates in β ladder)trans-91.7135.5172.6-158.5167.825.900110.1G343 N344Q339-G343 WeakPolarHBondContact CG-O 3.12Å; Q339-G343 PolarHBondContact NE2-O 2.79Å; Q339-N344 CarbonylContact C-O 3.59Å; Q339-N344 WeakPolarHBondContact CA-O 3.42Å
340D88.4Confident74.7Confident57 Ų57110 Ų11031%0.30557%0.567SS.*  trans-82.2178.4169.774.813000112E342 G343 N344D340-E342 PolarHBondContact O-N 3.22Å; D340-E342 WeakPolarHBondContact OD1-CA 3.4Å; D340-E342 PolarHBondContact OD1-N 3.44Å; D340-G343 PolarHBondContact O-N 3.33Å; D340-G343 PolarHBondContact OD1-N 3.32Å; D340-N344 PolarHBondContact N-O 2.9Å; D340-N344 PolarHBondContact OD1-N 2.88Å; D340-N344 PolarHBondContact OD1-ND2 2.75Å; D340-N344 WeakPolarHBondContact OD2-CB 3.46Å; D340-N344 PolarHBondContact OD2-ND2 2.88Å
341S84.9Confident75.1Confident127 Ų127115.3 Ų115.389%0.88858%0.583SS**THydrogen-bonded Turntrans-70.1-9.6179.951.90000115
342E87.3Confident76.4Confident168 Ų168114.1 Ų114.179%0.78558%0.576SS**THydrogen-bonded Turntrans-102.1-7.3176.5-63-175.6178.400111.8D340D340-E342 PolarHBondContact O-N 3.22Å; D340-E342 WeakPolarHBondContact OD1-CA 3.4Å; D340-E342 PolarHBondContact OD1-N 3.44Å
343G86.9Confident77.7Confident34 Ų34113.1 Ų113.135%0.35158%0.575SS.*SBendtrans103.30.8176.300000114.7Q339 D340Q339-G343 WeakPolarHBondContact CG-O 3.12Å; Q339-G343 PolarHBondContact NE2-O 2.79Å; D340-G343 PolarHBondContact O-N 3.33Å; D340-G343 PolarHBondContact OD1-N 3.32Å
344N88.1Confident78.9Confident83 Ų83115.2 Ų115.244%0.44458%0.58SS.*  trans-78145.3-176.1-48.5-69.5000111.8Q339 D340Q339-N344 CarbonylContact C-O 3.59Å; Q339-N344 WeakPolarHBondContact CA-O 3.42Å; D340-N344 PolarHBondContact N-O 2.9Å; D340-N344 PolarHBondContact OD1-N 2.88Å; D340-N344 PolarHBondContact OD1-ND2 2.75Å; D340-N344 WeakPolarHBondContact OD2-CB 3.46Å; D340-N344 PolarHBondContact OD2-ND2 2.88Å
345Q88.4Confident80.2Confident151 Ų151116.1 Ų116.171%0.70658%0.583SS**EExtended strand (participates in β ladder)trans-83.1120.7172.1-63.4-177.921.300110.4F337 T338F337-Q345 HydrophobicContact CD1-CB 4.19Å; T338-Q345 WeakPolarHBondContact O-CA 3.33Å
346V86.4Confident81.3Confident63 Ų63115.9 Ų115.938%0.38258%0.581SS.*EExtended strand (participates in β ladder)trans-119.9139.3179.1-59.80000111F337 T338 R348F337-V346 WeakPolarHBondContact CA-O 3.32Å; T338-V346 PolarHBondContact N-O 3.09Å; T338-V346 WeakPolarHBondContact O-CG2 3.39Å; T338-V346 PolarHBondContact O-N 2.82Å; T338-V346 PolarHBondContact OG1-O 2.87Å; V346-R348 PolarHBondContact O-N 3.22Å
347I88.3Confident81.7Confident97 Ų97118 Ų11850%0.49759%0.59SS.*EExtended strand (participates in β ladder)trans-73.6127.3-177.5-63171.1000110.3L336 F337 H349L336-I347 CarbonylContact O-C 3.59Å; L336-I347 WeakPolarHBondContact O-CA 3.36Å; F337-I347 HydrophobicContact CD1-CG1 3.9Å; F337-I347 HydrophobicContact CE1-CD1 4.16Å; F337-I347 HydrophobicContact CE1-CG1 3.42Å; F337-I347 VanDerWaalsContact CE1-CG1 3.42Å; F337-I347 HydrophobicContact CZ-CG1 4.07Å; I347-H349 PolarHBondContact O-N 3.22Å
348R81.9Confident81.8Confident132 Ų132120.4 Ų120.450%0.49861%0.606SS.*  trans-75.7109.7170.2-60.6-16777.6-126.5-4.6110L336 T338 V346 Q350L336-R348 PolarHBondContact O-N 3.04Å; T338-R348 HydrophobicContact CG2-CG 3.93Å; T338-R348 VanDerWaalsContact OG1-CG 3.28Å; T338-R348 WeakPolarHBondContact OG1-CG 3.41Å; V346-R348 PolarHBondContact O-N 3.22Å; R348-Q350 PolarHBondContact O-N 3.45Å
349H75.3Confident81.6Confident148 Ų148124.9 Ų124.969%0.68562%0.623SS**  trans-76.1121.5161.8-70.6-82.7000109.5I347 F351I347-H349 PolarHBondContact O-N 3.22Å; H349-F351 HydrophobicContact CB-CE2 4.06Å
350Q66.9Low81Confident150 Ų150123.1 Ų123.170%0.70162%0.618SS**  trans-86.2143.5166.1-57.7179.317.900107.9R348R348-Q350 PolarHBondContact O-N 3.45Å
351F49.8Very low80.4Confident267 Ų267129.1 Ų129.1100%1.17165%0.646SS**  trans-1290-178.6-77.8-75.9000109.7H349H349-F351 HydrophobicContact CB-CE2 4.06Å

Retrieved 351 of 351 residues in 53.6 ms (Link to these results)